Hf3MoPd2
Alexandria ALEXAlex-ID: agm038869233 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_229_spg2
Hf2MoPd HfPd
2025-03-29 13:29:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm038869233).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm038869233
data_agm038869233
_cell_length_a 7.44408
_cell_length_b 7.44408
_cell_length_c 6.57311
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.05564
_cell_volume 218.92524
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf1 Hf 0.83050 0.16950 0.25554 1.00000
Hf2 Hf 0.50000 0.50000 0.74700 1.00000
Hf3 Hf 0.16950 0.83050 0.74446 1.00000
Hf4 Hf 0.83050 0.16950 0.74446 1.00000
Hf5 Hf 0.16950 0.83050 0.25554 1.00000
Hf6 Hf 0.50000 0.50000 0.25300 1.00000
Mo1 Mo 0.33605 0.66395 0.50000 1.00000
Mo2 Mo 0.66395 0.33605 0.50000 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
Pd2 Pd 0.00000 0.00000 0.00000 1.00000
Pd3 Pd 0.33382 0.66618 0.00000 1.00000
Pd4 Pd 0.66618 0.33382 0.00000 1.00000
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